In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 31 | Yes |
Popular Name: N-[5-(1-piperidyl)-8-isoquinolyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide N-[5-(1-piperidyl)-8-isoquinolyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.11 | 9.21 | -13.16 | 1 | 7 | 0 | 84 | 433.537 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.11 | 9.69 | -45.53 | 2 | 7 | 1 | 85 | 434.545 | 6 | ↓ |